4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine

C19H21N — CID 140722853

IUPAC4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(C34CCC(CC3)C4)ccn2)cc1
InChIInChI=1S/C19H21N/c1-14-2-4-16(5-3-14)18-12-17(8-11-20-18)19-9-6-15(13-19)7-10-19/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3
InChIKeyMFDBNKAUSINAPN-UHFFFAOYSA-N
MW263.38 g/mol
LogP4.89
Rot. Bonds2

About 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine

4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine (PubChem CID 140722853) has the molecular formula C19H21N and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine.

Molecular Properties

Compound Name4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine
PubChem CID140722853
Molecular FormulaC19H21N
Molecular Weight263.38 g/mol
Exact Mass263.17
IUPAC Name4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine
SMILESCc1ccc(-c2cc(C34CCC(CC3)C4)ccn2)cc1
InChIInChI=1S/C19H21N/c1-14-2-4-16(5-3-14)18-12-17(8-11-20-18)19-9-6-15(13-19)7-10-19/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3
InChIKeyMFDBNKAUSINAPN-UHFFFAOYSA-N
XLogP4.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine?
The IUPAC name of 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine (CID 140722853) is 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine.
What is the SMILES notation for 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine?
The canonical SMILES for 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine is Cc1ccc(-c2cc(C34CCC(CC3)C4)ccn2)cc1.
What is the InChIKey of 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine?
The InChIKey is MFDBNKAUSINAPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N/c1-14-2-4-16(5-3-14)18-12-17(8-11-20-18)19-9-6-15(13-19)7-10-19/h2-5,8,11-12,15H,6-7,9-10,13H2,1H3.
What are the key properties of 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine?
4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine has a molecular weight of 263.38 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[2.2.1]heptanyl)-2-(4-methylphenyl)pyridine is sourced from PubChem (CID 140722853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).